lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride

C74H83Cl2F4LiN20O16 — CID 159176664

About lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride

lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride (PubChem CID 159176664) has the molecular formula C74H83Cl2F4LiN20O16 and a molecular weight of 1663.45 g/mol. Its IUPAC name is lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride.

Molecular Properties

• Compound Name: lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride
• PubChem CID: 159176664
• Molecular Formula: C74H83Cl2F4LiN20O16
• Molecular Weight: 1663.45 g/mol
• Exact Mass: 1661.58
• IUPAC Name: lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride
• SMILES: C.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)c([N+](=O)[O-])c3)c21.CCOC(=O)c1nn(Cc2ccc(F)c([N+](=O)[O-])c2)c2c1CN(C(=O)c1ccc[nH]1)CC2C.CCOC(=O)c1nn(Cc2ccc(F)c([N+](=O)[O-])c2)c2c1CNCC2C.Cc1cccc(N)c1.Cl.O=C(Cl)C1=CC=CC1.[2H]CF.[Li+].[N-]=NNNN=O
• InChI: InChI=1S/C22H22FN5O5.C20H18FN5O5.C17H19FN4O4.C7H9N.C6H5ClO.CH3F.CH4.ClH.Li.H2N5O/c1-3-33-22(30)19-15-12-26(21(29)17-5-4-8-24-17)10-13(2)20(15)27(25-19)11-14-6-7-16(23)18(9-14)28(31)32;1-11-8-24(19(27)15-3-2-6-22-15)10-13-17(20(28)29)23-25(18(11)13)9-12-4-5-14(21)16(7-12)26(30)31;1-3-26-17(23)15-12-8-19-7-10(2)16(12)21(20-15)9-11-4-5-13(18)14(6-11)22(24)25;1-6-3-2-4-7(8)5-6;7-6(8)5-3-1-2-4-5;1-2;;;;1-2-3-4-5-6/h4-9,13,24H,3,10-12H2,1-2H3;2-7,11,22H,8-10H2,1H3,(H,28,29);4-6,10,19H,3,7-9H2,1-2H3;2-5H,8H2,1H3;1-3H,4H2;1H3;1H4;1H;;(H2-,1,2,3,4,5,6)/q;;;;;;;;+1;-1/i;;;;;1D
• InChIKey: ZVNYEBLWMHUKFD-GOOKBYQXSA-N
• XLogP: 9.93
• TPSA: 488.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1663.45
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride?

The IUPAC name of lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride (CID 159176664) is lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride.

What is the SMILES notation for lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride?

The canonical SMILES for lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride is C.CC1CN(C(=O)c2ccc[nH]2)Cc2c(C(=O)O)nn(Cc3ccc(F)c([N+](=O)[O-])c3)c21.CCOC(=O)c1nn(Cc2ccc(F)c([N+](=O)[O-])c2)c2c1CN(C(=O)c1ccc[nH]1)CC2C.CCOC(=O)c1nn(Cc2ccc(F)c([N+](=O)[O-])c2)c2c1CNCC2C.Cc1cccc(N)c1.Cl.O=C(Cl)C1=CC=CC1.[2H]CF.[Li+].[N-]=NNNN=O.

What is the InChIKey of lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride?

The InChIKey is ZVNYEBLWMHUKFD-GOOKBYQXSA-N. The full InChI is InChI=1S/C22H22FN5O5.C20H18FN5O5.C17H19FN4O4.C7H9N.C6H5ClO.CH3F.CH4.ClH.Li.H2N5O/c1-3-33-22(30)19-15-12-26(21(29)17-5-4-8-24-17)10-13(2)20(15)27(25-19)11-14-6-7-16(23)18(9-14)28(31)32;1-11-8-24(19(27)15-3-2-6-22-15)10-13-17(20(28)29)23-25(18(11)13)9-12-4-5-14(21)16(7-12)26(30)31;1-3-26-17(23)15-12-8-19-7-10(2)16(12)21(20-15)9-11-4-5-13(18)14(6-11)22(24)25;1-6-3-2-4-7(8)5-6;7-6(8)5-3-1-2-4-5;1-2;;;;1-2-3-4-5-6/h4-9,13,24H,3,10-12H2,1-2H3;2-7,11,22H,8-10H2,1H3,(H,28,29);4-6,10,19H,3,7-9H2,1-2H3;2-5H,8H2,1H3;1-3H,4H2;1H3;1H4;1H;;(H2-,1,2,3,4,5,6)/q;;;;;;;;+1;-1/i;;;;;1D;;;;.

What are the key properties of lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride?

lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride has a molecular weight of 1663.45 g/mol, XLogP of 9.93, 20 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;1-[(4-fluoro-3-nitrophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;methane;3-methylaniline;[(2-oxohydrazinyl)hydrazinylidene]azanide;hydrochloride is sourced from PubChem (CID 159176664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).